Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 5/20 | 0.45 |
| ▸ | CA1 | P00915 | 5/20 | 0.45 |
| ▸ | CA2 | P00918 | 5/20 | 0.45 |
| ▸ | CA9 | Q16790 | 5/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | CYP3A43 | Q9HB55 | 1/20 | 0.42 |
| ▸ | IDO1 | P14902 | 1/20 | 0.40 |
| ▸ | EGFR | P00533 | 1/20 | 0.40 |
| ▸ | RAF1 | P04049 | 1/20 | 0.40 |
| ▸ | KDR | P35968 | 1/20 | 0.40 |
| ▸ | MAP2K2 | P36507 | 1/20 | 0.40 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.40 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.40 |
| ▸ | BCHE | P06276 | 1/20 | 0.39 |
| ▸ | CNR2 | P34972 | 1/20 | 0.39 |
| ▸ | AAK1 | Q2M2I8 | 4/20 | 0.38 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL6993977 | 0.88 | CA12 (0.46) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL6989190 | 0.88 | NQO2 (0.48) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL6991751 | 0.87 | CA12 (0.50) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL6990907 | 0.87 | CA12 (0.45) | CA12CA1CA2CA9CYP1A1 | |
| SCHEMBL6989587 | 0.87 | FAAH (0.49) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL6992047 | 0.87 | CA12 (0.47) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL6990569 | 0.86 | CA12 (0.44) | CA12CA1CA2CA9CYP1A1 | |
| SCHEMBL6987842 | 0.86 | CA1 (0.44) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL6992097 | 0.85 | CA12 (0.46) | CA12CA1CA2CA9CYP1A1 | |
| SCHEMBL6989201 | 0.85 | CA12 (0.43) | CA12CA1CA2CA9CYP1A1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0779281-B1 | ISOXAZOLES | SANKYO CO (JP) | 2003-10-29 | — | — | EP | disclosed |
| US-6096771-A | ISOXAZOLE DERIVATIVES EXHIBITING EXCELLENT TYPE B AND TYPE A MONOAMINE OXIDASE INHIBITORY ACTIVITIES, THEREFORE USEFUL FOR PREVENTING PARKINSON'S DISEASE, DEPRESSION AND ALZHEIMER'S DISEASE | SANKYO COMPANY, LIMITED (JP) | 2000-08-01 | — | — | US | disclosed |
| US-5965591-A | MONOAMINE OXIDASE INHIBITOR; FOR PROPHYLAXIS AND TREATING PARKINSON'S DISEASE, DEPRESSION AND ALZHEIMER'S DISEASE | SANKYO COMPANY, LIMITED (JP) | 1999-10-12 | — | — | US | disclosed |
| EP-0779281-A1 | ISOXAZOLES | SANKYO COMPANY LIMITED (JP) | 1997-06-18 | — | — | EP | disclosed |